1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl- supplier

Name
3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
EINECS 200-258-5
CAS No. 916766-83-1
Article Data2
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 78 °C
Formula C₁₁H₁₁ClN₂
Boiling Point 343.3 °C at 760 mmHg
Molecular Weight 206.675
Flash Point 161.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole 97%
PSA 17.82000
LogP 2.82590

1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl- Specification

This chemical is called 1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl-, and its systematic name is 3-[4-(chloromethyl)phenyl]-1-methyl-pyrazole. With the molecular formula of C₁₁H₁₁ClN₂, its molecular weight is 206.68. The CAS registry number of this chemical is 916766-83-1.

Other characteristics of the 1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl- can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.82 Å²; (9)Index of Refraction: 1.589; (10)Molar Refractivity: 59.56 cm³; (11)Molar Volume: 176.5 cm³; (12)Polarizability: 23.61×10^-24cm³; (13)Surface Tension: 40.2 dyne/cm; (14)Density: 1.17 g/cm³; (15)Flash Point: 161.4 °C; (16)Enthalpy of Vaporization: 56.39 kJ/mol; (17)Boiling Point: 343.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cn1ccc(n1)c2ccc(cc2)CCl
2.InChI: InChI=1/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
3.InChIKey: YLJMPTWMRVXTQQ-UHFFFAOYAZ

Product Name

3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole

1H-Pyrazole, 3-[4-(chloromethyl)phenyl]-1-methyl- Specification

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